Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 15/20 | 0.51 |
| ▸ | MAOB | P27338 | 8/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.51 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.51 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24426681 | 1.00 | KDM1A (0.51) | KDM1AMAOBMAOACISD1KDM1B | |
| SCHEMBL22673729 | 1.00 | KDM1A (0.51) | KDM1AMAOBMAOACISD1KDM1B | |
| SCHEMBL23584885 | 1.00 | KDM1A (0.51) | KDM1AMAOBMAOACISD1KDM1B | |
| SCHEMBL19737312 | 0.98 | KDM1A (0.54) | KDM1AMAOBMAOACISD1KDM1B | |
| SCHEMBL22510988 | 0.98 | KDM1A (0.54) | KDM1AMAOBMAOACISD1KDM1B | |
| SCHEMBL3713496 | 0.94 | KDM1A (0.57) | KDM1AMAOBMAOACISD1KDM1B | |
| SCHEMBL14685835 | 0.94 | KDM1A (0.57) | KDM1AMAOBMAOACISD1KDM1B | |
| SCHEMBL3713495 | 0.94 | KDM1A (0.57) | KDM1AMAOBMAOACISD1KDM1B | |
| SCHEMBL3713493 | 0.94 | KDM1A (0.57) | KDM1AMAOBMAOACISD1KDM1B | |
| SCHEMBL14685834 | 0.94 | KDM1A (0.57) | KDM1AMAOBMAOACISD1KDM1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021013209-A1 | MACROCYCLIC DERIVATIVES AS FACTOR XIA INHIBITORS | 南京明德新药研发有限公司 | 2021-01-28 | — | — | WO | disclosed |